[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol

C14H23NO — CID 115229280

IUPAC[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol
SMILESCc1ccc(C(C)(C)C)cc1CCNCO
InChIInChI=1S/C14H23NO/c1-11-5-6-13(14(2,3)4)9-12(11)7-8-15-10-16/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyYHAFTMRAALUDIZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.37
Rot. Bonds4

About [2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol

[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol (PubChem CID 115229280) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol.

Molecular Properties

Compound Name[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol
PubChem CID115229280
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol
SMILESCc1ccc(C(C)(C)C)cc1CCNCO
InChIInChI=1S/C14H23NO/c1-11-5-6-13(14(2,3)4)9-12(11)7-8-15-10-16/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyYHAFTMRAALUDIZ-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227143
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]ethanethiol
CID 115224198
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]acetonitrile
CID 115131196
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195966
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
3-[2-(5-tert-butyl-2-methylphenyl)ethylamino]propanoic acid
CID 115005536
1-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]propane-1,2-diamine
CID 115196764
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide
CID 110787932
2-[(5-tert-butyl-2-methylphenyl)methylamino]acetic acid
CID 82496644
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide
CID 110787933
2-amino-3-[2-(4-tert-butyl-2-methylphenyl)ethylamino]propan-1-ol
CID 115120856
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631

Frequently Asked Questions

What is the IUPAC name of [2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol?
The IUPAC name of [2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol (CID 115229280) is [2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol.
What is the SMILES notation for [2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol?
The canonical SMILES for [2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol is Cc1ccc(C(C)(C)C)cc1CCNCO.
What is the InChIKey of [2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol?
The InChIKey is YHAFTMRAALUDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-5-6-13(14(2,3)4)9-12(11)7-8-15-10-16/h5-6,9,15-16H,7-8,10H2,1-4H3.
What are the key properties of [2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol?
[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol has a molecular weight of 221.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol is sourced from PubChem (CID 115229280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).